SCHEMBL496593

SCHEMBL496593

COc1ccccc1-c1nnc2c3ccccc3c(Nc3ccc([N+](=O)[O-])cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TOP2A P11388 1/20 0.42
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL496538 0.90 ABCG2 (0.58) ABCG2RXFP1ABCB1HPGDALDH1A1
SCHEMBL496930 0.86 PDE2A (0.51) PDE2ARXFP1HPGDALDH1A1THRB
SCHEMBL496603 0.85 PDE2A (0.48) PDE2AABCG2RXFP1HPGDALDH1A1
SCHEMBL496633 0.85 PDE2A (0.51) PDE2AABCG2HPGDTOP2AMAPT
SCHEMBL496809 0.84 PDE2A (0.46) PDE2AABCG2HPGDTOP2AMAPT
SCHEMBL2829169 0.82 KDR (0.49) PDE2ARXFP1HPGDALDH1A1THRB
SCHEMBL496651 0.82 PDE2A (0.46) PDE2AABCG2HPGDTOP2AMAPT
SCHEMBL496641 0.79 MEN1 (0.44) PDE2AABCG2RXFP1TOP2AMAPT
SCHEMBL496760 0.79 RXFP1 (0.46) PDE2AABCG2RXFP1HPGDALDH1A1
SCHEMBL496652 0.77 ABCG2 (0.47) PDE2AABCG2ABCB1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed
US-7851472-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-12-14 US disclosed
US-20100286140-A1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-11-11 US disclosed
EP-1791543-B1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-06-16 EP disclosed
US-20090005372-A1 Triazolophthalazines ALTANA PHARMA AG (DE) 2009-01-01 US disclosed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US disclosed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 EP disclosed
EP-1791543-A2 TRIAZOLOPHTHALAZINES Altana Pharma AG (DE) 2007-06-06 EP disclosed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 WO disclosed
WO-2006024640-A2 TRIAZOLOPHTHALAZINES ALTANA PHARMA AG (DE) 2006-03-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286140-A1 TRIAZOLOPHTHALAZINES PDE2A, PDE12, PDE3A PDE2A 1/4885ABCG2 1937/4885RXFP1 223/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A PDE2A 1/4885ABCG2 1937/4885RXFP1 223/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 PDE2A 1/4885ABCG2 2008/4885RXFP1 292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.